| SpectraBase Spectrum ID |
AkHIh10Cjak |
| Name |
(1R,3S,4S)-tert-Butyl 5,5,7,7-tetramethyl-2,6-dioxabicyclo[2.2.2]octane-3-carboxylate |
| Appearance |
Colorless oil |
| Copyright |
Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
270.183109313 u |
| Formula |
C15H26O4 |
| GC Column |
HP-5 MS (30 m x 0.25 mm, film thickness 0.25 micrometer) |
| InChI |
InChI=1S/C15H26O4/c1-13(2,3)18-11(16)10-9-8-14(4,5)12(17-10)19-15(9,6)7/h9-10,12H,8H2,1-7H3/t9-,10+,12-/m1/s1 |
| InChIKey |
BTOZMIXTQRHRKP-JFGNBEQYSA-N |
| Instrument Name |
Agilent 6890 N-5975 |
| Ionization Type |
EI |
| Literature Reference DOI |
10.1002/chem.201600847 |
| Molecular Weight |
270.369 g/mol |
| Optical Rotation |
[a]D20 = +30.8 (c = 0.94, CHCl3) |
| Quality |
160 |
| Reported Formula |
C15H26O4 |
| SMILES |
[C@@]12(O[C@@]([C@](C(O2)(C)C)(CC1(C)C)[H])(C(=O)OC(C)(C)C)[H])[H] |
| SPLASH |
splash10-0bt9-9500000000-a08bc0db21cc841b8e2d |
| Sample Comments |
endo/exo = 96:4, er = 96:4 |
| Source of Spectrum |
QE-22-SM15-8c (DOI: 10.1002/chem.201600847) |
| Wiley ID |
1903197 |
![(1R,3S,4S)-tert-Butyl 5,5,7,7-tetramethyl-2,6-dioxabicyclo[2.2.2]octane-3-carboxylate](/api/spectrum/AkHIh10Cjak/structure.png?h=300&w=458 "(1R,3S,4S)-tert-Butyl 5,5,7,7-tetramethyl-2,6-dioxabicyclo[2.2.2]octane-3-carboxylate")
